SCHEMBL3528575

SCHEMBL3528575

CC(C)(CN)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
SRD5A2 P31213 4/20 0.55
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 1/20 0.53
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NR1H4 Q96RI1 3/20 0.47
EPHX2 P34913 2/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
NR4A2 P43354 1/20 0.46
RXRG P48443 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TPMT P51580 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29328730 0.82 KMT2A (0.56) SRD5A2MEN1CYP1A2KMT2ARARB
SCHEMBL444583 0.82 MEN1 (0.59) SRD5A2MEN1CYP1A2KMT2ARARB
SCHEMBL9653084 0.82 SRD5A2 (0.57) SRD5A2MEN1CYP1A2KMT2ARARB
SCHEMBL5988818 0.81 SRD5A2 (0.52) SRD5A2MEN1CYP1A2KMT2ARARB
SCHEMBL11772204 0.81 SRD5A2 (0.65) SRD5A2MEN1CYP1A2KMT2ARARB
SCHEMBL448814 0.80 SHBG (0.59) SRD5A2MEN1CYP1A2KMT2ARARB
SCHEMBL2804705 0.80 SRD5A2 (0.55) SRD5A2MEN1CYP1A2KMT2ARARB
SCHEMBL6562809 0.80 TAAR1 (0.75) TAAR1CYP1A2TSHRSMN1; SMN2
SCHEMBL27870324 0.79 TAAR1 (0.47) TAAR1CYP1A2NR1H4EPHX2ALDH1A1
SCHEMBL4446216 0.79 MAPT (0.59) TAAR1MEN1KMT2ATSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387954-A1 OXADIAZOLES AS FUNGICIDES PI INDUSTRIES LIMITED (IN) 2021-12-16 US disclosed
WO-2020070611-A1 OXADIAZOLES AS FUNGICIDES PI INDUSTRIES LTD (IN) 2020-04-09 WO disclosed
US-8822109-B2 Colored curable composition, color filter, and solid image pickup element FUJIFILM CORPORATION (JP) 2014-09-02 US disclosed
US-7652047-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2010-01-26 US disclosed
US-20090085018-A1 COLORED CURABLE COMPOSITION, COLOR FILTER, AND SOLID IMAGE PICKUP ELEMENT FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-12-11 US disclosed
US-7429667-B2 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-09-30 US disclosed
US-20060194802-A1 Phenylamino isothiazole carboxamidines as MEK inhibitors ARDEA BIOSCIENCES, INC. 2006-08-31 US disclosed
WO-2004048321-A1 PHENYLSULFOXIDE AND PHENYLSULFONE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-10 WO disclosed
EP-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO disclosed
US-5110723-A Assay for microorganisms; no surfactant necessary EASTMAN KODAK COMPANY (US) 1992-05-05 US disclosed
US-5037762-A Determination Of Enzymes, Metabolites Or Living Cells With Quinone Derivatives EASTMAN KODAK COMPANY (US) 1991-08-06 US disclosed
US-4853186-A Water-compatible reducible compounds and their use in analytical compositions and methods EASTMAN KODAK COMPANY (US) 1989-08-01 US disclosed
US-4797357-A FLUORESCENT DYES FOR MICROORGANISM DETECTION EASTMAN KODAK COMPANY (US) 1989-01-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306063-A1 PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS BRAF, MAP4K2, MAP3K4 TAAR1 3338/4885SRD5A2 4545/4885MEN1 1180/4885
US-20060194802-A1 Phenylamino isothiazole carboxamidines as MEK inhibitors BRAF, MAP4K2, MAP3K4 TAAR1 3338/4885SRD5A2 4545/4885MEN1 1180/4885
US-20210387954-A1 OXADIAZOLES AS FUNGICIDES CYP1B1, CYP1A1, OXA1L TAAR1 927/4885SRD5A2 93/4885MEN1 855/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.